Geometry & MOs

Info

ID:	222505
PubChem CID:	85300947
Reduced:	OCl2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	350.1278
ΔH_f, kcal/mol:	-71.81
Dipole, Da:	8.73
IP(EA), eV:	-8.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C[NH2+]2)CC(C(=O)[NH2+]CCCCN)N.[Cl-].[Cl-]

DOS

IR

Vibrations